Glycoside
...
GD150064

Name:
6-({8a-[({4,5-dihydroxy-3-[(3-hydroxy-4-{[4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-(hydroxymethyl)oxan-2-yl}oxy)carbonyl]-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxane-2-carboxylic acid

Formula:
C70H112O37

Smiles:
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)OC(CO)C(O)C2O)C(O)C(OC2CC(O)(CO)CO2)C1OC1OCC(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(OC2CC(O)(CO)CO2)C1OC1OCC(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 12
HBD: 21 FractionCSP3: 0.94
AlogP: -7.19 Num_rotatable_bonds: 20
MolWt: 1545.63 Num_heavy_atoms: 107
TPSA: 588.19 NumAromaticRings: 0

Unique Aglycone
AD00478
Formula: C30H48O5

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 5.18 Num_rotatable_bonds: 2
MolWt: 488.71 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD09742

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(OC2CC(O)(CO)CO2)C1OC1OCC(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O