Glycoside
...
GD147009

Name:
6-[10-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3-hydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-5,11-dihydroxy-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-carbonyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C62H98O32

Smiles:
CC1OC(OC2COC(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(C(=O)O)C(O)C(O)C6O)C(O)CC45C)C3(C)CO)C(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)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(OC2COC(O)C(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 18 FractionCSP3: 0.94
AlogP: -5.79 Num_rotatable_bonds: 16
MolWt: 1355.43 Num_heavy_atoms: 94
TPSA: 509.04 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
SD09400

CC1OC(OC2COC(O)C(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.O=C(O)C1OC(O)C(O)C(O)C1O