Glycoside
...
GD129499

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

Formula:
C63H102O31

Smiles:
CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(OC4OCC(O)(CO)C4O)C(O)C3O)C(O)C2O)C(O)C1O

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

Sugarmoiety:
CC1OC(O)C(OC2OC(C)C(OC3OCC(OC4OCC(O)(CO)C4O)C(O)C3O)C(O)C2O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 11
HBD: 18 FractionCSP3: 0.95
AlogP: -5.5 Num_rotatable_bonds: 15
MolWt: 1355.48 Num_heavy_atoms: 94
TPSA: 491.97 NumAromaticRings: 0

Unique Aglycone
AD10010
Formula: C30H48O6

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.15 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD07093

CC1OC(O)C(OC2OC(C)C(OC3OCC(OC4OCC(O)(CO)C4O)C(O)C3O)C(O)C2O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O