Glycoside
...
GD020570

Name:
3-hydroxy-3-[7-({5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5-(2-methylprop-1-en-1-yl)oxolan-2-one

Formula:
C46H74O16

Smiles:
CC(C)=C[C@@H]1C[C@](O)([C@@H]2CC[C@]3(C)[C@H]2CC[C@@H]2[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@]23C)C(=O)O1

Aglycone:
CC(C)=CC1CC(O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)C(=O)O1

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 8 FractionCSP3: 0.93
AlogP: 1.82 Num_rotatable_bonds: 8
MolWt: 883.08 Num_heavy_atoms: 62
TPSA: 243.52 NumAromaticRings: 0

Unique Aglycone
AD14189
Formula: C30H48O4

Smiles:
CC(C)=CC1CC(O)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)C(=O)O1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.05 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD01388

CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O