Glycoside
...
GD123409

Name:
6-{[8a-({[5-(acetyloxy)-6-methyl-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}carbonyl)-4-carboxy-2,8-dihydroxy-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}-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C62H96O30

Smiles:
CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O.CC1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 10
HBD: 15 FractionCSP3: 0.9
AlogP: -2.43 Num_rotatable_bonds: 13
MolWt: 1321.42 Num_heavy_atoms: 92
TPSA: 473.26 NumAromaticRings: 0

Unique Aglycone
AD06481
Formula: C30H46O7

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.87
AlogP: 4.24 Num_rotatable_bonds: 2
MolWt: 518.69 Num_heavy_atoms: 37
TPSA: 135.29 NumAromaticRings: 0

Sugarmoiety
SD06137

CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O.CC1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O