Glycoside
...
GD138918

Name:
3-{[5-({3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl 10-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C63H102O32

Smiles:
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(OC%10OCC(O)(CO)C%10O)C(O)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6O)OCC(O)C4O)C(O)C3O)C2O)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)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)(CO)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 19 FractionCSP3: 0.95
AlogP: -6.53 Num_rotatable_bonds: 15
MolWt: 1371.48 Num_heavy_atoms: 95
TPSA: 512.2 NumAromaticRings: 0

Unique Aglycone
AD03100
Formula: C30H48O7

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1
HBA: 7 RingCount: 5
HBD: 6 FractionCSP3: 0.9
AlogP: 3.12 Num_rotatable_bonds: 2
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 138.45 NumAromaticRings: 0

Sugarmoiety
SD08372

CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)(CO)C1O